Tropine 4-tolylacetate
TL;DR: Tropine 4-tolylacetate (CAS 1690-20-6) is a chemical compound with molecular formula C17H23NO2 and molecular weight 273.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate
Also Known As: Tropine p-tolylacetate, Tropine 4-tolylacetate, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl(4-methylphenyl)acetate, endo-4-Methylbenzeneacetic acid, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
| Molecular Formula | C17H23NO2 |
|---|---|
| Molecular Weight | 273.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.17288 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 1690-20-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CC(=O)OC2CC3CCC(C2)N3C |
| InChIKey | ASYPNTRQZFTOSA-UHFFFAOYSA-N |
Product Overview
Tropine 4-tolylacetate (CAS 1690-20-6), with molecular formula C17H23NO2 and molecular weight 273.17 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-methylphenyl)acetate.
Chemical Property Profile of Tropine 4-tolylacetate
Property Insights of Tropine 4-tolylacetate
The XLogP value of 3.3 indicates that Tropine 4-tolylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Tropine 4-tolylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropine 4-tolylacetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tropine 4-tolylacetate?
The CAS number of Tropine 4-tolylacetate is 1690-20-6.
What is the molecular formula of Tropine 4-tolylacetate?
The molecular formula of Tropine 4-tolylacetate is C17H23NO2.
What is the molecular weight of Tropine 4-tolylacetate?
The molecular weight of Tropine 4-tolylacetate is 273.17 g/mol.
Where can I buy Tropine 4-tolylacetate?
You can request a quote for Tropine 4-tolylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropine 4-tolylacetate?
Yes, KEHONG BIO provides custom synthesis services for Tropine 4-tolylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.